N-[(2-methoxycyclohexa-1,4-dien-1-yl)methyl]-7H-purin-6-amine

Systemtic Name: N-[(2-methoxycyclohexa-1,4-dien-1-yl)methyl]-7H-purin-6-amine Openeye Name: N-[(2-methoxycyclohexa-1,4-dien-1-yl)methyl]-7H-purin-6-amine CAS Name: N-[(2-methoxy-1-cyclohexa-1,4-dienyl)methyl]-7H-purin-6-amine IUPAC Name: N-[(2-methoxycyclohexa-1,4-dien-1-yl)methyl]-7H-purin-6-amine Traditional Name: (2-methoxycyclohexa-1,4-dien-1-yl)methyl-(7H-purin-6-yl)amine Formula: C13H15N5O MolecularWeight: 257.2911

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(CC=CC1)CNC2=NC=NC3=C2NC=N3

Isomeric SMILES

COC1=C(CC=CC1)CNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C13H15N5O/c1-19-10-5-3-2-4-9(10)6-14-12-11-13(16-7-15-11)18-8-17-12/h2-3,7-8H,4-6H2,1H3,(H2,14,15,16,17,18)